CID 470833

Cgp 72163a

Structural Information

Molecular Formula
C24H33N5O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NCCCN(CCCCN)CCCN
InChI
InChI=1S/C24H33N5O/c25-13-5-6-16-29(17-7-14-26)18-8-15-27-24(30)23-19-9-1-3-11-21(19)28-22-12-4-2-10-20(22)23/h1-4,9-12H,5-8,13-18,25-26H2,(H,27,30)
InChIKey
IZNITZLZRZLYOZ-UHFFFAOYSA-N
Compound name
N-[3-[4-aminobutyl(3-aminopropyl)amino]propyl]acridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

407.26852 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.27580 198.7
[M+Na]+ 430.25774 201.5
[M-H]- 406.26124 201.5
[M+NH4]+ 425.30234 208.7
[M+K]+ 446.23168 196.1
[M+H-H2O]+ 390.26578 187.9
[M+HCOO]- 452.26672 220.4
[M+CH3COO]- 466.28237 239.7
[M+Na-2H]- 428.24319 203.5
[M]+ 407.26797 200.4
[M]- 407.26907 200.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.